logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC02585411

 MMsINC code: MMs02904996
Type: Neutral
Formula: C10H20O
SMILES:   O=CC(CCCC)CCCC
InChI:   InChI=1/C10H20O/c1-3-5-7-10(9-11)8-6-4-2/h9-10H,3-8H2,1-2H3

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=5.28602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -3.12531  SlogP: 3.1819  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.056713  Sterimol/B1: 2.56785  Sterimol/B2: 3.21009  Sterimol/B3: 3.53199
  Sterimol/B4: 4.21339  Sterimol/L: 14.732 
 
 Surface and Volume Properties
  Accessible surface: 418.09  Positive charged surface: 317.364  Negative charged surface: 100.726  Volume: 191.5
  Hydrophobic surface: 329.939  Hydrophilic surface: 88.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.